USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 GLN : amide:sc= 0 K(o=-2.1,f=-0.66) USER MOD Set 1.2: A 25 GLN : amide:sc= -0.337 K(o=-2.1,f=-6.4!) USER MOD Set 1.3: A 27 ASN : amide:sc= -1.76 K(o=-2.1,f=-0.28) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -1.53 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 11 CYS SG : rot 100:sc= -0.0167 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc=-0.00376 (180deg=-0.124) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 48:sc= -0.165 USER MOD Single : A 20 SER OG : rot 25:sc= 0.31 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 41 TYR OH : rot 60:sc= -2.34 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 171:sc= -0.74 (180deg=-1.16) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 105:sc= -0.864 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.054 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.733 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0.113 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 76 CYS SG : rot 19:sc= -0.934 USER MOD Single : A 79 GLN : amide:sc= -4.98! C(o=-5!,f=-4.5!) USER MOD Single : A 82 SER OG : rot -170:sc= 0 USER MOD Single : A 90 SER OG : rot -150:sc= 0 USER MOD Single : A 95 CYS SG : rot 178:sc= -1.32 USER MOD Single : A 97 THR OG1 : rot -170:sc= 0.467 USER MOD Single : A 100 SER OG : rot 180:sc=-0.00212 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -11.359 -12.973 1.427 1.00 0.00 N ATOM 67 CA PRO A 8 -10.469 -13.418 0.351 1.00 0.00 C ATOM 68 C PRO A 8 -9.109 -13.868 0.873 1.00 0.00 C ATOM 69 O PRO A 8 -8.858 -13.848 2.079 1.00 0.00 O ATOM 70 CB PRO A 8 -10.320 -12.173 -0.526 1.00 0.00 C ATOM 71 CG PRO A 8 -10.577 -11.029 0.394 1.00 0.00 C ATOM 72 CD PRO A 8 -11.591 -11.519 1.390 1.00 0.00 C ATOM 0 HA PRO A 8 -10.871 -14.282 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.323 -12.113 -0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.030 -12.184 -1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.660 -10.716 0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.953 -10.165 -0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.444 -11.064 2.369 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.608 -11.282 1.077 1.00 0.00 H new ATOM 80 N ASP A 9 -8.233 -14.271 -0.041 1.00 0.00 N ATOM 81 CA ASP A 9 -6.896 -14.724 0.328 1.00 0.00 C ATOM 82 C ASP A 9 -5.981 -13.538 0.617 1.00 0.00 C ATOM 83 O ASP A 9 -6.233 -12.423 0.160 1.00 0.00 O ATOM 84 CB ASP A 9 -6.300 -15.585 -0.786 1.00 0.00 C ATOM 85 CG ASP A 9 -7.011 -16.916 -0.933 1.00 0.00 C ATOM 86 OD1 ASP A 9 -8.076 -16.951 -1.583 1.00 0.00 O ATOM 87 OD2 ASP A 9 -6.503 -17.922 -0.397 1.00 0.00 O ATOM 0 H ASP A 9 -8.424 -14.293 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.980 -15.324 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.354 -15.042 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.244 -15.761 -0.580 1.00 0.00 H new ATOM 92 N GLN A 10 -4.921 -13.787 1.377 1.00 0.00 N ATOM 93 CA GLN A 10 -3.970 -12.739 1.728 1.00 0.00 C ATOM 94 C GLN A 10 -3.611 -11.899 0.506 1.00 0.00 C ATOM 95 O GLN A 10 -3.727 -12.358 -0.631 1.00 0.00 O ATOM 96 CB GLN A 10 -2.704 -13.351 2.330 1.00 0.00 C ATOM 97 CG GLN A 10 -1.675 -12.317 2.762 1.00 0.00 C ATOM 98 CD GLN A 10 -0.345 -12.940 3.140 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.232 -14.160 3.272 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.672 -12.105 3.314 1.00 0.00 N ATOM 0 H GLN A 10 -4.698 -14.705 1.762 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.439 -12.090 2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.979 -13.960 3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.250 -14.020 1.599 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.521 -11.603 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.064 -11.756 3.612 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.534 -11.101 3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.591 -12.467 3.567 1.00 0.00 H new ATOM 109 N CYS A 11 -3.175 -10.668 0.749 1.00 0.00 N ATOM 110 CA CYS A 11 -2.800 -9.763 -0.332 1.00 0.00 C ATOM 111 C CYS A 11 -1.286 -9.589 -0.396 1.00 0.00 C ATOM 112 O CYS A 11 -0.637 -9.334 0.618 1.00 0.00 O ATOM 113 CB CYS A 11 -3.474 -8.403 -0.144 1.00 0.00 C ATOM 114 SG CYS A 11 -5.281 -8.467 -0.144 1.00 0.00 S ATOM 0 H CYS A 11 -3.072 -10.274 1.684 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.137 -10.201 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.137 -7.970 0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.145 -7.734 -0.939 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.716 -8.436 1.081 1.00 0.00 H new ATOM 120 N LYS A 12 -0.730 -9.732 -1.594 1.00 0.00 N ATOM 121 CA LYS A 12 0.709 -9.592 -1.791 1.00 0.00 C ATOM 122 C LYS A 12 1.154 -8.154 -1.543 1.00 0.00 C ATOM 123 O LYS A 12 0.390 -7.204 -1.713 1.00 0.00 O ATOM 124 CB LYS A 12 1.094 -10.019 -3.210 1.00 0.00 C ATOM 125 CG LYS A 12 1.060 -11.522 -3.422 1.00 0.00 C ATOM 126 CD LYS A 12 -0.004 -12.184 -2.564 1.00 0.00 C ATOM 127 CE LYS A 12 -0.037 -13.690 -2.777 1.00 0.00 C ATOM 128 NZ LYS A 12 1.212 -14.344 -2.297 1.00 0.00 N ATOM 0 H LYS A 12 -1.253 -9.945 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 12 1.214 -10.239 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.416 -9.545 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.096 -9.652 -3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.867 -11.737 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.036 -11.946 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.189 -11.969 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.980 -11.761 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.894 -14.113 -2.252 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.175 -13.904 -3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.081 -15.376 -2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.998 -14.102 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.431 -14.012 -1.336 1.00 0.00 H new ATOM 142 N PRO A 13 2.420 -7.989 -1.133 1.00 0.00 N ATOM 143 CA PRO A 13 2.997 -6.670 -0.856 1.00 0.00 C ATOM 144 C PRO A 13 3.196 -5.846 -2.123 1.00 0.00 C ATOM 145 O PRO A 13 3.663 -6.341 -3.148 1.00 0.00 O ATOM 146 CB PRO A 13 4.347 -6.999 -0.215 1.00 0.00 C ATOM 147 CG PRO A 13 4.694 -8.351 -0.738 1.00 0.00 C ATOM 148 CD PRO A 13 3.387 -9.077 -0.910 1.00 0.00 C ATOM 0 HA PRO A 13 2.346 -6.066 -0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.104 -6.263 -0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.279 -7.001 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.227 -8.278 -1.686 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.347 -8.882 -0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.418 -9.766 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.134 -9.665 -0.027 1.00 0.00 H new ATOM 156 N PRO A 14 2.833 -4.556 -2.054 1.00 0.00 N ATOM 157 CA PRO A 14 2.964 -3.635 -3.187 1.00 0.00 C ATOM 158 C PRO A 14 4.419 -3.310 -3.506 1.00 0.00 C ATOM 159 O PRO A 14 5.317 -3.615 -2.722 1.00 0.00 O ATOM 160 CB PRO A 14 2.229 -2.380 -2.711 1.00 0.00 C ATOM 161 CG PRO A 14 2.303 -2.437 -1.225 1.00 0.00 C ATOM 162 CD PRO A 14 2.268 -3.897 -0.865 1.00 0.00 C ATOM 0 HA PRO A 14 2.560 -4.060 -4.106 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.700 -1.476 -3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.195 -2.372 -3.056 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.217 -1.967 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.468 -1.903 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.858 -4.105 0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.252 -4.236 -0.662 1.00 0.00 H new ATOM 170 N GLN A 15 4.644 -2.691 -4.660 1.00 0.00 N ATOM 171 CA GLN A 15 5.992 -2.326 -5.081 1.00 0.00 C ATOM 172 C GLN A 15 6.230 -0.830 -4.907 1.00 0.00 C ATOM 173 O GLN A 15 5.578 -0.007 -5.550 1.00 0.00 O ATOM 174 CB GLN A 15 6.218 -2.724 -6.541 1.00 0.00 C ATOM 175 CG GLN A 15 7.539 -2.228 -7.108 1.00 0.00 C ATOM 176 CD GLN A 15 7.477 -1.987 -8.604 1.00 0.00 C ATOM 177 OE1 GLN A 15 6.693 -1.165 -9.079 1.00 0.00 O ATOM 178 NE2 GLN A 15 8.306 -2.703 -9.354 1.00 0.00 N ATOM 0 H GLN A 15 3.911 -2.432 -5.320 1.00 0.00 H new ATOM 0 HA GLN A 15 6.701 -2.864 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.182 -3.810 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.401 -2.331 -7.147 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.821 -1.303 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.319 -2.958 -6.893 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.939 -3.373 -8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.310 -2.583 -10.367 1.00 0.00 H new ATOM 187 N VAL A 16 7.168 -0.483 -4.031 1.00 0.00 N ATOM 188 CA VAL A 16 7.493 0.915 -3.772 1.00 0.00 C ATOM 189 C VAL A 16 8.650 1.381 -4.649 1.00 0.00 C ATOM 190 O VAL A 16 9.723 0.776 -4.657 1.00 0.00 O ATOM 191 CB VAL A 16 7.860 1.141 -2.293 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.605 1.319 -1.453 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.703 -0.014 -1.772 1.00 0.00 C ATOM 0 H VAL A 16 7.716 -1.151 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 16 6.603 1.497 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 16 8.450 2.054 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.884 1.477 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.045 2.182 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.985 0.426 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.954 0.161 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.140 -0.943 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.620 -0.088 -2.357 1.00 0.00 H new ATOM 203 N THR A 17 8.426 2.464 -5.388 1.00 0.00 N ATOM 204 CA THR A 17 9.448 3.013 -6.269 1.00 0.00 C ATOM 205 C THR A 17 9.669 4.497 -5.999 1.00 0.00 C ATOM 206 O THR A 17 9.018 5.351 -6.604 1.00 0.00 O ATOM 207 CB THR A 17 9.075 2.823 -7.751 1.00 0.00 C ATOM 208 OG1 THR A 17 8.995 1.426 -8.061 1.00 0.00 O ATOM 209 CG2 THR A 17 10.096 3.491 -8.657 1.00 0.00 C ATOM 0 H THR A 17 7.545 2.978 -5.393 1.00 0.00 H new ATOM 0 HA THR A 17 10.369 2.468 -6.061 1.00 0.00 H new ATOM 0 HB THR A 17 8.104 3.289 -7.921 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.756 1.313 -9.005 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.810 3.343 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.133 4.558 -8.439 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.078 3.052 -8.484 1.00 0.00 H new ATOM 217 N CYS A 18 10.589 4.797 -5.090 1.00 0.00 N ATOM 218 CA CYS A 18 10.894 6.179 -4.739 1.00 0.00 C ATOM 219 C CYS A 18 11.414 6.945 -5.951 1.00 0.00 C ATOM 220 O CYS A 18 12.623 7.090 -6.135 1.00 0.00 O ATOM 221 CB CYS A 18 11.926 6.226 -3.611 1.00 0.00 C ATOM 222 SG CYS A 18 13.479 5.384 -3.995 1.00 0.00 S ATOM 0 H CYS A 18 11.137 4.102 -4.583 1.00 0.00 H new ATOM 0 HA CYS A 18 9.973 6.653 -4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.140 7.268 -3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 18 11.493 5.776 -2.718 1.00 0.00 H new ATOM 0 HG CYS A 18 13.893 5.752 -5.171 1.00 0.00 H new ATOM 228 N ARG A 19 10.493 7.432 -6.777 1.00 0.00 N ATOM 229 CA ARG A 19 10.859 8.181 -7.974 1.00 0.00 C ATOM 230 C ARG A 19 11.890 9.258 -7.648 1.00 0.00 C ATOM 231 O ARG A 19 12.764 9.559 -8.459 1.00 0.00 O ATOM 232 CB ARG A 19 9.619 8.820 -8.600 1.00 0.00 C ATOM 233 CG ARG A 19 8.451 7.859 -8.757 1.00 0.00 C ATOM 234 CD ARG A 19 7.508 8.306 -9.863 1.00 0.00 C ATOM 235 NE ARG A 19 6.786 7.180 -10.454 1.00 0.00 N ATOM 236 CZ ARG A 19 6.225 7.218 -11.657 1.00 0.00 C ATOM 237 NH1 ARG A 19 6.303 8.318 -12.395 1.00 0.00 N ATOM 238 NH2 ARG A 19 5.586 6.155 -12.126 1.00 0.00 N ATOM 0 H ARG A 19 9.488 7.321 -6.639 1.00 0.00 H new ATOM 0 HA ARG A 19 11.300 7.485 -8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.305 9.663 -7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.882 9.221 -9.579 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.827 6.860 -8.979 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.905 7.792 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.793 9.025 -9.462 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.076 8.820 -10.638 1.00 0.00 H new ATOM 0 HE ARG A 19 6.709 6.319 -9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.795 9.137 -12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.871 8.344 -13.319 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.525 5.307 -11.563 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.155 6.185 -13.050 1.00 0.00 H new ATOM 252 N SER A 20 11.780 9.833 -6.455 1.00 0.00 N ATOM 253 CA SER A 20 12.700 10.880 -6.023 1.00 0.00 C ATOM 254 C SER A 20 12.832 10.893 -4.504 1.00 0.00 C ATOM 255 O SER A 20 12.262 10.049 -3.812 1.00 0.00 O ATOM 256 CB SER A 20 12.220 12.245 -6.517 1.00 0.00 C ATOM 257 OG SER A 20 12.668 12.497 -7.838 1.00 0.00 O ATOM 0 H SER A 20 11.064 9.592 -5.770 1.00 0.00 H new ATOM 0 HA SER A 20 13.679 10.670 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.131 12.284 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.586 13.026 -5.850 1.00 0.00 H new ATOM 0 HG SER A 20 12.840 11.646 -8.293 1.00 0.00 H new ATOM 263 N ALA A 21 13.586 11.859 -3.991 1.00 0.00 N ATOM 264 CA ALA A 21 13.793 11.985 -2.553 1.00 0.00 C ATOM 265 C ALA A 21 12.488 12.320 -1.838 1.00 0.00 C ATOM 266 O ALA A 21 12.283 11.940 -0.685 1.00 0.00 O ATOM 267 CB ALA A 21 14.843 13.047 -2.262 1.00 0.00 C ATOM 0 H ALA A 21 14.064 12.566 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 21 14.148 11.026 -2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.987 13.130 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.785 12.766 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.510 14.006 -2.659 1.00 0.00 H new ATOM 273 N THR A 22 11.606 13.035 -2.531 1.00 0.00 N ATOM 274 CA THR A 22 10.322 13.423 -1.962 1.00 0.00 C ATOM 275 C THR A 22 9.165 12.895 -2.804 1.00 0.00 C ATOM 276 O THR A 22 8.068 13.453 -2.786 1.00 0.00 O ATOM 277 CB THR A 22 10.198 14.955 -1.844 1.00 0.00 C ATOM 278 OG1 THR A 22 10.213 15.549 -3.147 1.00 0.00 O ATOM 279 CG2 THR A 22 11.333 15.525 -1.007 1.00 0.00 C ATOM 0 H THR A 22 11.758 13.357 -3.487 1.00 0.00 H new ATOM 0 HA THR A 22 10.273 12.984 -0.965 1.00 0.00 H new ATOM 0 HB THR A 22 9.253 15.186 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.132 16.522 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.225 16.607 -0.937 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.301 15.092 -0.007 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.287 15.285 -1.476 1.00 0.00 H new ATOM 287 N CYS A 23 9.419 11.818 -3.540 1.00 0.00 N ATOM 288 CA CYS A 23 8.398 11.214 -4.389 1.00 0.00 C ATOM 289 C CYS A 23 8.415 9.695 -4.263 1.00 0.00 C ATOM 290 O CYS A 23 9.478 9.077 -4.226 1.00 0.00 O ATOM 291 CB CYS A 23 8.614 11.620 -5.847 1.00 0.00 C ATOM 292 SG CYS A 23 8.821 13.400 -6.096 1.00 0.00 S ATOM 0 H CYS A 23 10.323 11.346 -3.566 1.00 0.00 H new ATOM 0 HA CYS A 23 7.424 11.576 -4.059 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.496 11.106 -6.229 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.764 11.278 -6.438 1.00 0.00 H new ATOM 0 HG CYS A 23 9.000 13.643 -7.360 1.00 0.00 H new ATOM 298 N ALA A 24 7.229 9.099 -4.195 1.00 0.00 N ATOM 299 CA ALA A 24 7.108 7.652 -4.073 1.00 0.00 C ATOM 300 C ALA A 24 5.839 7.148 -4.754 1.00 0.00 C ATOM 301 O ALA A 24 4.817 7.833 -4.766 1.00 0.00 O ATOM 302 CB ALA A 24 7.121 7.242 -2.607 1.00 0.00 C ATOM 0 H ALA A 24 6.339 9.596 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 24 7.963 7.197 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.030 6.158 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.057 7.560 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.285 7.713 -2.090 1.00 0.00 H new ATOM 308 N GLN A 25 5.913 5.947 -5.319 1.00 0.00 N ATOM 309 CA GLN A 25 4.770 5.354 -6.003 1.00 0.00 C ATOM 310 C GLN A 25 4.566 3.907 -5.566 1.00 0.00 C ATOM 311 O GLN A 25 5.508 3.114 -5.547 1.00 0.00 O ATOM 312 CB GLN A 25 4.966 5.418 -7.519 1.00 0.00 C ATOM 313 CG GLN A 25 3.837 4.772 -8.306 1.00 0.00 C ATOM 314 CD GLN A 25 4.266 4.343 -9.695 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.457 4.301 -10.004 1.00 0.00 O ATOM 316 NE2 GLN A 25 3.294 4.022 -10.541 1.00 0.00 N ATOM 0 H GLN A 25 6.752 5.366 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 25 3.881 5.925 -5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.058 6.461 -7.821 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.905 4.927 -7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.468 3.904 -7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.007 5.474 -8.387 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.320 4.071 -10.242 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.521 3.726 -11.490 1.00 0.00 H new ATOM 325 N VAL A 26 3.329 3.569 -5.214 1.00 0.00 N ATOM 326 CA VAL A 26 3.000 2.218 -4.778 1.00 0.00 C ATOM 327 C VAL A 26 2.211 1.471 -5.848 1.00 0.00 C ATOM 328 O VAL A 26 1.492 2.079 -6.639 1.00 0.00 O ATOM 329 CB VAL A 26 2.186 2.233 -3.471 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.207 0.862 -2.812 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.718 3.297 -2.523 1.00 0.00 C ATOM 0 H VAL A 26 2.538 4.213 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 26 3.945 1.703 -4.603 1.00 0.00 H new ATOM 0 HB VAL A 26 1.152 2.478 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.627 0.893 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.774 0.126 -3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.236 0.584 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.131 3.293 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.761 3.086 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.644 4.276 -2.997 1.00 0.00 H new ATOM 341 N ASN A 27 2.351 0.149 -5.864 1.00 0.00 N ATOM 342 CA ASN A 27 1.650 -0.680 -6.838 1.00 0.00 C ATOM 343 C ASN A 27 1.315 -2.046 -6.246 1.00 0.00 C ATOM 344 O ASN A 27 2.208 -2.816 -5.892 1.00 0.00 O ATOM 345 CB ASN A 27 2.500 -0.853 -8.097 1.00 0.00 C ATOM 346 CG ASN A 27 3.050 0.465 -8.608 1.00 0.00 C ATOM 347 OD1 ASN A 27 4.155 0.871 -8.245 1.00 0.00 O ATOM 348 ND2 ASN A 27 2.281 1.141 -9.454 1.00 0.00 N ATOM 0 H ASN A 27 2.942 -0.370 -5.215 1.00 0.00 H new ATOM 0 HA ASN A 27 0.719 -0.179 -7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.327 -1.531 -7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.899 -1.320 -8.877 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.599 2.034 -9.830 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.372 0.767 -9.728 1.00 0.00 H new ATOM 355 N TRP A 28 0.024 -2.340 -6.142 1.00 0.00 N ATOM 356 CA TRP A 28 -0.429 -3.613 -5.594 1.00 0.00 C ATOM 357 C TRP A 28 -1.188 -4.418 -6.643 1.00 0.00 C ATOM 358 O TRP A 28 -1.325 -3.988 -7.788 1.00 0.00 O ATOM 359 CB TRP A 28 -1.318 -3.378 -4.372 1.00 0.00 C ATOM 360 CG TRP A 28 -2.490 -2.488 -4.651 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.769 -2.878 -4.928 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.489 -1.056 -4.683 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.563 -1.775 -5.130 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.802 -0.645 -4.984 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.508 -0.081 -4.484 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.157 0.697 -5.092 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.861 1.250 -4.591 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.176 1.630 -4.892 1.00 0.00 C ATOM 0 H TRP A 28 -0.728 -1.714 -6.430 1.00 0.00 H new ATOM 0 HA TRP A 28 0.449 -4.183 -5.291 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.680 -4.339 -4.005 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.719 -2.938 -3.575 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.107 -3.902 -4.981 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.558 -1.794 -5.353 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.492 -0.363 -4.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.170 0.991 -5.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.110 2.012 -4.440 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.420 2.679 -4.968 1.00 0.00 H new ATOM 379 N GLU A 29 -1.679 -5.587 -6.245 1.00 0.00 N ATOM 380 CA GLU A 29 -2.425 -6.451 -7.152 1.00 0.00 C ATOM 381 C GLU A 29 -3.619 -7.084 -6.444 1.00 0.00 C ATOM 382 O GLU A 29 -3.772 -6.960 -5.229 1.00 0.00 O ATOM 383 CB GLU A 29 -1.514 -7.545 -7.714 1.00 0.00 C ATOM 384 CG GLU A 29 -0.293 -7.006 -8.442 1.00 0.00 C ATOM 385 CD GLU A 29 0.551 -8.104 -9.058 1.00 0.00 C ATOM 386 OE1 GLU A 29 0.119 -8.685 -10.075 1.00 0.00 O ATOM 387 OE2 GLU A 29 1.645 -8.382 -8.522 1.00 0.00 O ATOM 0 H GLU A 29 -1.574 -5.958 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.795 -5.838 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.185 -8.188 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.089 -8.169 -8.399 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.615 -6.319 -9.224 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.317 -6.432 -7.745 1.00 0.00 H new ATOM 394 N VAL A 30 -4.465 -7.762 -7.214 1.00 0.00 N ATOM 395 CA VAL A 30 -5.645 -8.414 -6.661 1.00 0.00 C ATOM 396 C VAL A 30 -5.431 -9.918 -6.528 1.00 0.00 C ATOM 397 O VAL A 30 -5.063 -10.605 -7.481 1.00 0.00 O ATOM 398 CB VAL A 30 -6.889 -8.160 -7.535 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.025 -9.087 -7.130 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.317 -6.703 -7.440 1.00 0.00 C ATOM 0 H VAL A 30 -4.354 -7.874 -8.222 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.809 -7.984 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.633 -8.373 -8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.894 -8.893 -7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.711 -10.123 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.285 -8.910 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.197 -6.541 -8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.556 -6.461 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.505 -6.062 -7.784 1.00 0.00 H new ATOM 410 N PRO A 31 -5.666 -10.444 -5.316 1.00 0.00 N ATOM 411 CA PRO A 31 -5.506 -11.873 -5.028 1.00 0.00 C ATOM 412 C PRO A 31 -6.569 -12.724 -5.714 1.00 0.00 C ATOM 413 O PRO A 31 -7.490 -12.200 -6.341 1.00 0.00 O ATOM 414 CB PRO A 31 -5.659 -11.948 -3.507 1.00 0.00 C ATOM 415 CG PRO A 31 -6.482 -10.758 -3.150 1.00 0.00 C ATOM 416 CD PRO A 31 -6.107 -9.685 -4.134 1.00 0.00 C ATOM 0 HA PRO A 31 -4.554 -12.259 -5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.149 -12.873 -3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.689 -11.922 -3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.546 -10.987 -3.209 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.282 -10.437 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.953 -9.038 -4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.313 -9.046 -3.748 1.00 0.00 H new ATOM 424 N LEU A 32 -6.437 -14.040 -5.588 1.00 0.00 N ATOM 425 CA LEU A 32 -7.388 -14.966 -6.195 1.00 0.00 C ATOM 426 C LEU A 32 -8.674 -15.039 -5.378 1.00 0.00 C ATOM 427 O LEU A 32 -8.685 -15.566 -4.266 1.00 0.00 O ATOM 428 CB LEU A 32 -6.767 -16.359 -6.317 1.00 0.00 C ATOM 429 CG LEU A 32 -7.677 -17.452 -6.878 1.00 0.00 C ATOM 430 CD1 LEU A 32 -7.792 -17.327 -8.390 1.00 0.00 C ATOM 431 CD2 LEU A 32 -7.157 -18.829 -6.492 1.00 0.00 C ATOM 0 H LEU A 32 -5.681 -14.490 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.633 -14.596 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.884 -16.287 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.425 -16.670 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.671 -17.328 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.443 -18.113 -8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.211 -16.353 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.804 -17.425 -8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.817 -19.595 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.153 -18.964 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.128 -18.916 -5.406 1.00 0.00 H new ATOM 501 N VAL A 38 -13.114 -7.507 -4.612 1.00 0.00 N ATOM 502 CA VAL A 38 -12.710 -6.471 -3.670 1.00 0.00 C ATOM 503 C VAL A 38 -13.449 -5.165 -3.938 1.00 0.00 C ATOM 504 O VAL A 38 -13.234 -4.516 -4.963 1.00 0.00 O ATOM 505 CB VAL A 38 -11.192 -6.212 -3.738 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.792 -5.122 -2.756 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.421 -7.496 -3.465 1.00 0.00 C ATOM 0 HA VAL A 38 -12.966 -6.832 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.943 -5.871 -4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.717 -4.953 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.319 -4.200 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.053 -5.431 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.351 -7.296 -3.517 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.673 -7.868 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.686 -8.245 -4.211 1.00 0.00 H new ATOM 517 N THR A 39 -14.321 -4.784 -3.011 1.00 0.00 N ATOM 518 CA THR A 39 -15.093 -3.555 -3.147 1.00 0.00 C ATOM 519 C THR A 39 -14.182 -2.333 -3.182 1.00 0.00 C ATOM 520 O THR A 39 -14.338 -1.455 -4.029 1.00 0.00 O ATOM 521 CB THR A 39 -16.103 -3.396 -1.995 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.598 -4.022 -0.811 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.446 -4.007 -2.364 1.00 0.00 C ATOM 0 H THR A 39 -14.511 -5.309 -2.157 1.00 0.00 H new ATOM 0 HA THR A 39 -15.636 -3.626 -4.089 1.00 0.00 H new ATOM 0 HB THR A 39 -16.245 -2.331 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.245 -3.915 -0.083 1.00 0.00 H new ATOM 0 HG21 THR A 39 -18.143 -3.882 -1.535 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.842 -3.508 -3.249 1.00 0.00 H new ATOM 0 HG23 THR A 39 -17.317 -5.069 -2.573 1.00 0.00 H new ATOM 531 N GLU A 40 -13.230 -2.284 -2.255 1.00 0.00 N ATOM 532 CA GLU A 40 -12.295 -1.169 -2.180 1.00 0.00 C ATOM 533 C GLU A 40 -10.950 -1.624 -1.619 1.00 0.00 C ATOM 534 O GLU A 40 -10.837 -2.711 -1.053 1.00 0.00 O ATOM 535 CB GLU A 40 -12.868 -0.049 -1.311 1.00 0.00 C ATOM 536 CG GLU A 40 -12.574 -0.216 0.171 1.00 0.00 C ATOM 537 CD GLU A 40 -13.644 0.400 1.052 1.00 0.00 C ATOM 538 OE1 GLU A 40 -13.715 1.645 1.115 1.00 0.00 O ATOM 539 OE2 GLU A 40 -14.410 -0.362 1.677 1.00 0.00 O ATOM 0 H GLU A 40 -13.087 -3.003 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.140 -0.791 -3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.462 0.905 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.947 -0.005 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.485 -1.277 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.612 0.242 0.400 1.00 0.00 H new ATOM 546 N TYR A 41 -9.933 -0.785 -1.782 1.00 0.00 N ATOM 547 CA TYR A 41 -8.595 -1.100 -1.295 1.00 0.00 C ATOM 548 C TYR A 41 -8.082 -0.006 -0.364 1.00 0.00 C ATOM 549 O TYR A 41 -7.951 1.152 -0.762 1.00 0.00 O ATOM 550 CB TYR A 41 -7.633 -1.280 -2.469 1.00 0.00 C ATOM 551 CG TYR A 41 -8.084 -2.320 -3.469 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.201 -2.105 -4.268 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.396 -3.519 -3.614 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.617 -3.053 -5.182 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.805 -4.472 -4.527 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.917 -4.234 -5.309 1.00 0.00 C ATOM 557 OH TYR A 41 -9.328 -5.181 -6.219 1.00 0.00 O ATOM 0 H TYR A 41 -10.010 0.119 -2.248 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.650 -2.032 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.514 -0.325 -2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.652 -1.560 -2.084 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.753 -1.181 -4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.526 -3.709 -3.002 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.487 -2.870 -5.795 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.258 -5.398 -4.628 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.312 -4.797 -7.120 1.00 0.00 H new ATOM 567 N ARG A 42 -7.792 -0.381 0.877 1.00 0.00 N ATOM 568 CA ARG A 42 -7.293 0.567 1.866 1.00 0.00 C ATOM 569 C ARG A 42 -5.768 0.531 1.932 1.00 0.00 C ATOM 570 O ARG A 42 -5.180 -0.440 2.407 1.00 0.00 O ATOM 571 CB ARG A 42 -7.881 0.257 3.243 1.00 0.00 C ATOM 572 CG ARG A 42 -9.273 0.831 3.454 1.00 0.00 C ATOM 573 CD ARG A 42 -9.696 0.744 4.913 1.00 0.00 C ATOM 574 NE ARG A 42 -9.553 -0.608 5.445 1.00 0.00 N ATOM 575 CZ ARG A 42 -10.222 -1.057 6.500 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.079 -0.266 7.132 1.00 0.00 N ATOM 577 NH2 ARG A 42 -10.037 -2.301 6.925 1.00 0.00 N ATOM 0 H ARG A 42 -7.894 -1.335 1.222 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.603 1.567 1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.919 -0.824 3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.215 0.651 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.292 1.872 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.988 0.291 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.094 1.432 5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.734 1.063 5.009 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.903 -1.242 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.225 0.690 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.592 -0.614 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.380 -2.913 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.552 -2.645 7.736 1.00 0.00 H new ATOM 591 N LEU A 43 -5.136 1.596 1.452 1.00 0.00 N ATOM 592 CA LEU A 43 -3.681 1.689 1.456 1.00 0.00 C ATOM 593 C LEU A 43 -3.203 2.736 2.457 1.00 0.00 C ATOM 594 O LEU A 43 -3.477 3.926 2.301 1.00 0.00 O ATOM 595 CB LEU A 43 -3.168 2.032 0.057 1.00 0.00 C ATOM 596 CG LEU A 43 -1.649 2.119 -0.099 1.00 0.00 C ATOM 597 CD1 LEU A 43 -1.061 0.745 -0.382 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.281 3.097 -1.205 1.00 0.00 C ATOM 0 H LEU A 43 -5.609 2.408 1.055 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.282 0.720 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.542 1.282 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.599 2.987 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.228 2.485 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.021 0.827 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.293 0.073 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.488 0.349 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.196 3.146 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.714 2.761 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.668 4.086 -0.960 1.00 0.00 H new ATOM 610 N GLU A 44 -2.487 2.285 3.483 1.00 0.00 N ATOM 611 CA GLU A 44 -1.971 3.185 4.507 1.00 0.00 C ATOM 612 C GLU A 44 -0.500 3.506 4.259 1.00 0.00 C ATOM 613 O GLU A 44 0.254 2.667 3.764 1.00 0.00 O ATOM 614 CB GLU A 44 -2.142 2.565 5.895 1.00 0.00 C ATOM 615 CG GLU A 44 -3.570 2.148 6.204 1.00 0.00 C ATOM 616 CD GLU A 44 -4.123 1.163 5.193 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.448 0.146 4.927 1.00 0.00 O ATOM 618 OE2 GLU A 44 -5.229 1.408 4.667 1.00 0.00 O ATOM 0 H GLU A 44 -2.252 1.303 3.626 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.540 4.113 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.492 1.694 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.811 3.281 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.607 1.702 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.206 3.033 6.228 1.00 0.00 H new ATOM 625 N TRP A 45 -0.100 4.724 4.605 1.00 0.00 N ATOM 626 CA TRP A 45 1.281 5.155 4.420 1.00 0.00 C ATOM 627 C TRP A 45 1.725 6.063 5.562 1.00 0.00 C ATOM 628 O TRP A 45 1.261 7.195 5.683 1.00 0.00 O ATOM 629 CB TRP A 45 1.434 5.885 3.083 1.00 0.00 C ATOM 630 CG TRP A 45 2.831 6.360 2.823 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.519 7.305 3.528 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.707 5.915 1.782 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.772 7.474 2.989 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.912 6.633 1.917 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.593 4.980 0.751 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.991 6.442 1.059 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.666 4.792 -0.101 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.852 5.520 0.058 1.00 0.00 C ATOM 0 H TRP A 45 -0.711 5.430 5.015 1.00 0.00 H new ATOM 0 HA TRP A 45 1.915 4.269 4.417 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.128 5.219 2.276 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.758 6.740 3.064 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.135 7.841 4.383 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.482 8.121 3.332 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.683 4.414 0.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.906 7.002 1.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.588 4.072 -0.902 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.673 5.350 -0.623 1.00 0.00 H new ATOM 649 N GLY A 46 2.628 5.558 6.396 1.00 0.00 N ATOM 650 CA GLY A 46 3.120 6.336 7.518 1.00 0.00 C ATOM 651 C GLY A 46 4.598 6.115 7.773 1.00 0.00 C ATOM 652 O GLY A 46 5.066 4.978 7.805 1.00 0.00 O ATOM 0 H GLY A 46 3.028 4.623 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.941 7.394 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.557 6.073 8.413 1.00 0.00 H new ATOM 656 N GLY A 47 5.335 7.206 7.955 1.00 0.00 N ATOM 657 CA GLY A 47 6.761 7.105 8.206 1.00 0.00 C ATOM 658 C GLY A 47 7.109 5.940 9.110 1.00 0.00 C ATOM 659 O GLY A 47 7.924 5.088 8.753 1.00 0.00 O ATOM 0 H GLY A 47 4.970 8.158 7.933 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.287 6.995 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.113 8.031 8.660 1.00 0.00 H new ATOM 663 N VAL A 48 6.493 5.902 10.287 1.00 0.00 N ATOM 664 CA VAL A 48 6.742 4.832 11.247 1.00 0.00 C ATOM 665 C VAL A 48 5.581 3.846 11.285 1.00 0.00 C ATOM 666 O VAL A 48 4.435 4.231 11.513 1.00 0.00 O ATOM 667 CB VAL A 48 6.973 5.392 12.664 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.803 4.297 13.704 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.351 6.030 12.767 1.00 0.00 C ATOM 0 H VAL A 48 5.818 6.600 10.599 1.00 0.00 H new ATOM 0 HA VAL A 48 7.643 4.314 10.917 1.00 0.00 H new ATOM 0 HB VAL A 48 6.227 6.163 12.858 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.970 4.711 14.699 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.793 3.892 13.644 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.524 3.502 13.516 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.497 6.420 13.774 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.115 5.283 12.553 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.429 6.845 12.047 1.00 0.00 H new ATOM 679 N GLU A 49 5.887 2.572 11.060 1.00 0.00 N ATOM 680 CA GLU A 49 4.867 1.529 11.069 1.00 0.00 C ATOM 681 C GLU A 49 3.998 1.629 12.319 1.00 0.00 C ATOM 682 O GLU A 49 2.818 1.281 12.297 1.00 0.00 O ATOM 683 CB GLU A 49 5.518 0.148 10.995 1.00 0.00 C ATOM 684 CG GLU A 49 6.477 -0.135 12.139 1.00 0.00 C ATOM 685 CD GLU A 49 6.611 -1.617 12.436 1.00 0.00 C ATOM 686 OE1 GLU A 49 5.607 -2.231 12.851 1.00 0.00 O ATOM 687 OE2 GLU A 49 7.721 -2.160 12.253 1.00 0.00 O ATOM 0 H GLU A 49 6.832 2.237 10.869 1.00 0.00 H new ATOM 0 HA GLU A 49 4.232 1.670 10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.737 -0.613 10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.056 0.059 10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.458 0.273 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.131 0.381 13.034 1.00 0.00 H new ATOM 694 N GLY A 50 4.592 2.106 13.409 1.00 0.00 N ATOM 695 CA GLY A 50 3.858 2.241 14.654 1.00 0.00 C ATOM 696 C GLY A 50 2.646 3.141 14.517 1.00 0.00 C ATOM 697 O GLY A 50 1.637 2.942 15.195 1.00 0.00 O ATOM 0 H GLY A 50 5.567 2.401 13.452 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.539 1.255 14.993 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.520 2.643 15.421 1.00 0.00 H new ATOM 701 N SER A 51 2.744 4.134 13.640 1.00 0.00 N ATOM 702 CA SER A 51 1.649 5.073 13.421 1.00 0.00 C ATOM 703 C SER A 51 1.380 5.256 11.930 1.00 0.00 C ATOM 704 O SER A 51 2.149 5.911 11.227 1.00 0.00 O ATOM 705 CB SER A 51 1.970 6.424 14.063 1.00 0.00 C ATOM 706 OG SER A 51 1.099 7.435 13.585 1.00 0.00 O ATOM 0 H SER A 51 3.571 4.310 13.069 1.00 0.00 H new ATOM 0 HA SER A 51 0.753 4.662 13.886 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.881 6.346 15.147 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.003 6.697 13.847 1.00 0.00 H new ATOM 0 HG SER A 51 1.323 8.288 14.011 1.00 0.00 H new ATOM 712 N MET A 52 0.285 4.671 11.456 1.00 0.00 N ATOM 713 CA MET A 52 -0.086 4.771 10.050 1.00 0.00 C ATOM 714 C MET A 52 -1.521 5.266 9.900 1.00 0.00 C ATOM 715 O MET A 52 -2.309 5.206 10.843 1.00 0.00 O ATOM 716 CB MET A 52 0.073 3.413 9.361 1.00 0.00 C ATOM 717 CG MET A 52 1.501 3.109 8.940 1.00 0.00 C ATOM 718 SD MET A 52 1.756 1.365 8.561 1.00 0.00 S ATOM 719 CE MET A 52 1.700 1.395 6.772 1.00 0.00 C ATOM 0 H MET A 52 -0.360 4.123 12.025 1.00 0.00 H new ATOM 0 HA MET A 52 0.579 5.492 9.575 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.273 2.630 10.036 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.570 3.383 8.482 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.753 3.708 8.065 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.182 3.407 9.737 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.000 0.422 6.382 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.685 1.621 6.443 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.381 2.161 6.399 1.00 0.00 H new ATOM 729 N GLN A 53 -1.853 5.754 8.708 1.00 0.00 N ATOM 730 CA GLN A 53 -3.193 6.260 8.437 1.00 0.00 C ATOM 731 C GLN A 53 -3.584 6.012 6.984 1.00 0.00 C ATOM 732 O GLN A 53 -2.724 5.854 6.118 1.00 0.00 O ATOM 733 CB GLN A 53 -3.269 7.755 8.749 1.00 0.00 C ATOM 734 CG GLN A 53 -2.980 8.089 10.204 1.00 0.00 C ATOM 735 CD GLN A 53 -2.948 9.583 10.465 1.00 0.00 C ATOM 736 OE1 GLN A 53 -1.905 10.224 10.339 1.00 0.00 O ATOM 737 NE2 GLN A 53 -4.095 10.144 10.832 1.00 0.00 N ATOM 0 H GLN A 53 -1.213 5.809 7.916 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.893 5.726 9.080 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.559 8.286 8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.263 8.121 8.491 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.740 7.630 10.836 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.022 7.654 10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.935 9.573 10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.135 11.145 11.022 1.00 0.00 H new ATOM 746 N ILE A 54 -4.887 5.975 6.726 1.00 0.00 N ATOM 747 CA ILE A 54 -5.392 5.746 5.378 1.00 0.00 C ATOM 748 C ILE A 54 -4.841 6.779 4.401 1.00 0.00 C ATOM 749 O ILE A 54 -5.247 7.942 4.417 1.00 0.00 O ATOM 750 CB ILE A 54 -6.931 5.789 5.338 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.517 4.837 6.382 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.435 5.435 3.947 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.081 3.399 6.200 1.00 0.00 C ATOM 0 H ILE A 54 -5.612 6.101 7.433 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.056 4.753 5.081 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.258 6.802 5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.223 5.175 7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.605 4.887 6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.524 5.470 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.041 6.150 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.101 4.431 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.534 2.781 6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.399 3.044 5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.995 3.336 6.274 1.00 0.00 H new ATOM 765 N CYS A 55 -3.915 6.347 3.552 1.00 0.00 N ATOM 766 CA CYS A 55 -3.308 7.233 2.566 1.00 0.00 C ATOM 767 C CYS A 55 -4.157 7.303 1.301 1.00 0.00 C ATOM 768 O CYS A 55 -4.411 8.385 0.771 1.00 0.00 O ATOM 769 CB CYS A 55 -1.896 6.756 2.221 1.00 0.00 C ATOM 770 SG CYS A 55 -0.885 7.994 1.375 1.00 0.00 S ATOM 0 H CYS A 55 -3.568 5.388 3.527 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.251 8.232 2.999 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.391 6.456 3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.967 5.869 1.592 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.013 8.483 2.206 1.00 0.00 H new ATOM 776 N TYR A 56 -4.594 6.144 0.823 1.00 0.00 N ATOM 777 CA TYR A 56 -5.412 6.074 -0.383 1.00 0.00 C ATOM 778 C TYR A 56 -6.479 4.990 -0.254 1.00 0.00 C ATOM 779 O TYR A 56 -6.191 3.865 0.155 1.00 0.00 O ATOM 780 CB TYR A 56 -4.535 5.798 -1.604 1.00 0.00 C ATOM 781 CG TYR A 56 -5.318 5.405 -2.836 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.907 6.369 -3.645 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.471 4.071 -3.190 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.624 6.016 -4.772 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.185 3.707 -4.315 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.760 4.684 -5.103 1.00 0.00 C ATOM 787 OH TYR A 56 -7.474 4.326 -6.224 1.00 0.00 O ATOM 0 H TYR A 56 -4.396 5.240 1.251 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.909 7.036 -0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.946 6.688 -1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.831 5.002 -1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.802 7.413 -3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.024 3.304 -2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.075 6.778 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.293 2.665 -4.577 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.406 5.036 -6.896 1.00 0.00 H new ATOM 797 N CYS A 57 -7.711 5.339 -0.606 1.00 0.00 N ATOM 798 CA CYS A 57 -8.823 4.398 -0.531 1.00 0.00 C ATOM 799 C CYS A 57 -9.629 4.403 -1.826 1.00 0.00 C ATOM 800 O CYS A 57 -10.231 5.413 -2.190 1.00 0.00 O ATOM 801 CB CYS A 57 -9.731 4.742 0.650 1.00 0.00 C ATOM 802 SG CYS A 57 -11.064 3.553 0.928 1.00 0.00 S ATOM 0 H CYS A 57 -7.965 6.266 -0.946 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.411 3.399 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.124 4.809 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.166 5.727 0.485 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.775 3.930 1.949 1.00 0.00 H new ATOM 808 N GLY A 58 -9.634 3.268 -2.519 1.00 0.00 N ATOM 809 CA GLY A 58 -10.368 3.164 -3.766 1.00 0.00 C ATOM 810 C GLY A 58 -10.093 1.863 -4.494 1.00 0.00 C ATOM 811 O GLY A 58 -9.224 1.082 -4.107 1.00 0.00 O ATOM 0 H GLY A 58 -9.143 2.419 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.436 3.245 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.102 4.001 -4.411 1.00 0.00 H new ATOM 815 N PRO A 59 -10.848 1.614 -5.574 1.00 0.00 N ATOM 816 CA PRO A 59 -10.701 0.398 -6.379 1.00 0.00 C ATOM 817 C PRO A 59 -9.395 0.378 -7.166 1.00 0.00 C ATOM 818 O PRO A 59 -8.895 -0.684 -7.532 1.00 0.00 O ATOM 819 CB PRO A 59 -11.897 0.456 -7.332 1.00 0.00 C ATOM 820 CG PRO A 59 -12.230 1.904 -7.434 1.00 0.00 C ATOM 821 CD PRO A 59 -11.903 2.500 -6.093 1.00 0.00 C ATOM 0 HA PRO A 59 -10.674 -0.499 -5.760 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.647 0.038 -8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.739 -0.118 -6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.652 2.382 -8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.283 2.046 -7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.555 3.529 -6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.773 2.515 -5.437 1.00 0.00 H new ATOM 829 N GLY A 60 -8.845 1.562 -7.423 1.00 0.00 N ATOM 830 CA GLY A 60 -7.601 1.658 -8.165 1.00 0.00 C ATOM 831 C GLY A 60 -6.571 0.648 -7.701 1.00 0.00 C ATOM 832 O GLY A 60 -6.705 0.062 -6.626 1.00 0.00 O ATOM 0 H GLY A 60 -9.239 2.456 -7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.801 1.507 -9.226 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.194 2.663 -8.057 1.00 0.00 H new ATOM 836 N LEU A 61 -5.540 0.443 -8.513 1.00 0.00 N ATOM 837 CA LEU A 61 -4.482 -0.505 -8.181 1.00 0.00 C ATOM 838 C LEU A 61 -3.124 0.188 -8.135 1.00 0.00 C ATOM 839 O LEU A 61 -2.110 -0.432 -7.816 1.00 0.00 O ATOM 840 CB LEU A 61 -4.451 -1.644 -9.202 1.00 0.00 C ATOM 841 CG LEU A 61 -5.681 -2.552 -9.231 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.597 -3.529 -10.394 1.00 0.00 C ATOM 843 CD2 LEU A 61 -5.821 -3.302 -7.913 1.00 0.00 C ATOM 0 H LEU A 61 -5.414 0.920 -9.406 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.694 -0.916 -7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.319 -1.212 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.574 -2.260 -9.003 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.565 -1.929 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.481 -4.167 -10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.545 -2.975 -11.331 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.705 -4.146 -10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.701 -3.943 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.934 -3.913 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.928 -2.587 -7.097 1.00 0.00 H new ATOM 855 N SER A 62 -3.113 1.479 -8.455 1.00 0.00 N ATOM 856 CA SER A 62 -1.879 2.256 -8.452 1.00 0.00 C ATOM 857 C SER A 62 -2.100 3.622 -7.808 1.00 0.00 C ATOM 858 O SER A 62 -3.098 4.292 -8.074 1.00 0.00 O ATOM 859 CB SER A 62 -1.358 2.431 -9.880 1.00 0.00 C ATOM 860 OG SER A 62 -2.334 3.039 -10.708 1.00 0.00 O ATOM 0 H SER A 62 -3.944 2.008 -8.719 1.00 0.00 H new ATOM 0 HA SER A 62 -1.137 1.713 -7.867 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.455 3.041 -9.869 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.082 1.460 -10.291 1.00 0.00 H new ATOM 0 HG SER A 62 -1.976 3.141 -11.615 1.00 0.00 H new ATOM 866 N TYR A 63 -1.162 4.027 -6.960 1.00 0.00 N ATOM 867 CA TYR A 63 -1.253 5.311 -6.276 1.00 0.00 C ATOM 868 C TYR A 63 0.122 5.959 -6.147 1.00 0.00 C ATOM 869 O TYR A 63 1.008 5.432 -5.475 1.00 0.00 O ATOM 870 CB TYR A 63 -1.876 5.131 -4.890 1.00 0.00 C ATOM 871 CG TYR A 63 -2.155 6.435 -4.178 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.196 7.261 -4.582 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.377 6.842 -3.101 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.455 8.454 -3.935 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.629 8.032 -2.447 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.669 8.834 -2.867 1.00 0.00 C ATOM 877 OH TYR A 63 -2.923 10.022 -2.219 1.00 0.00 O ATOM 0 H TYR A 63 -0.329 3.485 -6.730 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.889 5.966 -6.871 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.808 4.574 -4.989 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.208 4.527 -4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.814 6.965 -5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.561 6.217 -2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.268 9.085 -4.263 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.015 8.333 -1.611 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.280 10.141 -1.489 1.00 0.00 H new ATOM 887 N GLU A 64 0.292 7.107 -6.797 1.00 0.00 N ATOM 888 CA GLU A 64 1.559 7.827 -6.755 1.00 0.00 C ATOM 889 C GLU A 64 1.580 8.827 -5.602 1.00 0.00 C ATOM 890 O GLU A 64 0.857 9.824 -5.618 1.00 0.00 O ATOM 891 CB GLU A 64 1.800 8.555 -8.079 1.00 0.00 C ATOM 892 CG GLU A 64 3.130 9.290 -8.136 1.00 0.00 C ATOM 893 CD GLU A 64 3.247 10.188 -9.351 1.00 0.00 C ATOM 894 OE1 GLU A 64 2.990 9.704 -10.474 1.00 0.00 O ATOM 895 OE2 GLU A 64 3.598 11.374 -9.182 1.00 0.00 O ATOM 0 H GLU A 64 -0.431 7.557 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 64 2.355 7.100 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.758 7.833 -8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.993 9.269 -8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.249 9.889 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.942 8.563 -8.146 1.00 0.00 H new ATOM 902 N ILE A 65 2.411 8.551 -4.603 1.00 0.00 N ATOM 903 CA ILE A 65 2.526 9.425 -3.442 1.00 0.00 C ATOM 904 C ILE A 65 3.613 10.473 -3.649 1.00 0.00 C ATOM 905 O ILE A 65 4.627 10.214 -4.299 1.00 0.00 O ATOM 906 CB ILE A 65 2.836 8.625 -2.164 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.593 7.866 -1.697 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.339 9.553 -1.067 1.00 0.00 C ATOM 909 CD1 ILE A 65 1.901 6.716 -0.763 1.00 0.00 C ATOM 0 H ILE A 65 3.015 7.729 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 65 1.563 9.922 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 65 3.619 7.900 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.920 8.561 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.062 7.483 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.554 8.973 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.248 10.053 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.576 10.298 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.973 6.224 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.548 6.000 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.404 7.095 0.127 1.00 0.00 H new ATOM 921 N LYS A 66 3.399 11.660 -3.091 1.00 0.00 N ATOM 922 CA LYS A 66 4.361 12.748 -3.211 1.00 0.00 C ATOM 923 C LYS A 66 4.396 13.586 -1.936 1.00 0.00 C ATOM 924 O LYS A 66 3.583 13.394 -1.033 1.00 0.00 O ATOM 925 CB LYS A 66 4.012 13.635 -4.408 1.00 0.00 C ATOM 926 CG LYS A 66 4.260 12.970 -5.751 1.00 0.00 C ATOM 927 CD LYS A 66 3.953 13.910 -6.904 1.00 0.00 C ATOM 928 CE LYS A 66 5.033 14.970 -7.062 1.00 0.00 C ATOM 929 NZ LYS A 66 4.903 15.707 -8.350 1.00 0.00 N ATOM 0 H LYS A 66 2.566 11.893 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 66 5.348 12.312 -3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.963 13.922 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.598 14.552 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.299 12.646 -5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.642 12.076 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.865 13.338 -7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.990 14.392 -6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.974 15.675 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.015 14.499 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.657 16.420 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.985 15.038 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.977 16.178 -8.389 1.00 0.00 H new ATOM 943 N GLY A 67 5.343 14.517 -1.872 1.00 0.00 N ATOM 944 CA GLY A 67 5.464 15.371 -0.705 1.00 0.00 C ATOM 945 C GLY A 67 6.099 14.658 0.473 1.00 0.00 C ATOM 946 O GLY A 67 5.672 14.829 1.615 1.00 0.00 O ATOM 0 H GLY A 67 6.028 14.695 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.061 16.247 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.476 15.731 -0.418 1.00 0.00 H new ATOM 950 N LEU A 68 7.119 13.855 0.195 1.00 0.00 N ATOM 951 CA LEU A 68 7.813 13.111 1.240 1.00 0.00 C ATOM 952 C LEU A 68 9.149 13.766 1.580 1.00 0.00 C ATOM 953 O LEU A 68 9.615 14.654 0.867 1.00 0.00 O ATOM 954 CB LEU A 68 8.040 11.663 0.798 1.00 0.00 C ATOM 955 CG LEU A 68 6.838 10.958 0.169 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.254 9.619 -0.420 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.732 10.771 1.196 1.00 0.00 C ATOM 0 H LEU A 68 7.484 13.702 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 68 7.188 13.119 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.861 11.647 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.362 11.086 1.665 1.00 0.00 H new ATOM 0 HG LEU A 68 6.455 11.583 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.386 9.131 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.012 9.779 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.663 8.986 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.885 10.268 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.103 10.167 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.415 11.744 1.570 1.00 0.00 H new ATOM 969 N SER A 69 9.760 13.319 2.673 1.00 0.00 N ATOM 970 CA SER A 69 11.041 13.863 3.108 1.00 0.00 C ATOM 971 C SER A 69 12.169 12.872 2.843 1.00 0.00 C ATOM 972 O SER A 69 12.015 11.659 2.994 1.00 0.00 O ATOM 973 CB SER A 69 10.991 14.211 4.597 1.00 0.00 C ATOM 974 OG SER A 69 12.200 14.820 5.019 1.00 0.00 O ATOM 0 H SER A 69 9.389 12.582 3.273 1.00 0.00 H new ATOM 0 HA SER A 69 11.236 14.770 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.155 14.884 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.813 13.307 5.179 1.00 0.00 H new ATOM 0 HG SER A 69 12.142 15.034 5.974 1.00 0.00 H new ATOM 980 N PRO A 70 13.335 13.398 2.440 1.00 0.00 N ATOM 981 CA PRO A 70 14.515 12.578 2.145 1.00 0.00 C ATOM 982 C PRO A 70 15.117 11.958 3.401 1.00 0.00 C ATOM 983 O PRO A 70 14.994 12.506 4.496 1.00 0.00 O ATOM 984 CB PRO A 70 15.492 13.575 1.518 1.00 0.00 C ATOM 985 CG PRO A 70 15.085 14.899 2.064 1.00 0.00 C ATOM 986 CD PRO A 70 13.592 14.834 2.239 1.00 0.00 C ATOM 0 HA PRO A 70 14.275 11.734 1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.523 13.338 1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.430 13.559 0.430 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.581 15.098 3.014 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.363 15.704 1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.261 15.425 3.093 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.068 15.218 1.364 1.00 0.00 H new ATOM 994 N ALA A 71 15.771 10.812 3.235 1.00 0.00 N ATOM 995 CA ALA A 71 16.395 10.120 4.355 1.00 0.00 C ATOM 996 C ALA A 71 15.386 9.853 5.467 1.00 0.00 C ATOM 997 O ALA A 71 15.607 10.217 6.622 1.00 0.00 O ATOM 998 CB ALA A 71 17.569 10.929 4.889 1.00 0.00 C ATOM 0 H ALA A 71 15.882 10.344 2.335 1.00 0.00 H new ATOM 0 HA ALA A 71 16.763 9.159 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.025 10.400 5.725 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.307 11.064 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.216 11.904 5.226 1.00 0.00 H new ATOM 1004 N THR A 72 14.275 9.214 5.111 1.00 0.00 N ATOM 1005 CA THR A 72 13.231 8.901 6.078 1.00 0.00 C ATOM 1006 C THR A 72 12.579 7.558 5.766 1.00 0.00 C ATOM 1007 O THR A 72 12.278 7.255 4.610 1.00 0.00 O ATOM 1008 CB THR A 72 12.145 9.992 6.106 1.00 0.00 C ATOM 1009 OG1 THR A 72 12.729 11.256 6.437 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.059 9.649 7.116 1.00 0.00 C ATOM 0 H THR A 72 14.076 8.904 4.160 1.00 0.00 H new ATOM 0 HA THR A 72 13.710 8.852 7.056 1.00 0.00 H new ATOM 0 HB THR A 72 11.693 10.049 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.032 11.945 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.303 10.434 7.118 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.596 8.700 6.845 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.499 9.567 8.110 1.00 0.00 H new ATOM 1018 N THR A 73 12.362 6.756 6.804 1.00 0.00 N ATOM 1019 CA THR A 73 11.745 5.445 6.640 1.00 0.00 C ATOM 1020 C THR A 73 10.246 5.570 6.394 1.00 0.00 C ATOM 1021 O THR A 73 9.596 6.481 6.908 1.00 0.00 O ATOM 1022 CB THR A 73 11.980 4.556 7.876 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.358 4.605 8.261 1.00 0.00 O ATOM 1024 CG2 THR A 73 11.578 3.117 7.592 1.00 0.00 C ATOM 0 H THR A 73 12.604 6.991 7.767 1.00 0.00 H new ATOM 0 HA THR A 73 12.214 4.980 5.773 1.00 0.00 H new ATOM 0 HB THR A 73 11.363 4.935 8.691 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.498 4.039 9.048 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.753 2.508 8.479 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.521 3.080 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.172 2.730 6.764 1.00 0.00 H new ATOM 1032 N TYR A 74 9.702 4.648 5.607 1.00 0.00 N ATOM 1033 CA TYR A 74 8.278 4.656 5.292 1.00 0.00 C ATOM 1034 C TYR A 74 7.762 3.238 5.068 1.00 0.00 C ATOM 1035 O TYR A 74 8.511 2.349 4.662 1.00 0.00 O ATOM 1036 CB TYR A 74 8.015 5.509 4.050 1.00 0.00 C ATOM 1037 CG TYR A 74 8.296 6.981 4.254 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.420 7.781 4.978 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.437 7.570 3.724 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.673 9.126 5.167 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.699 8.913 3.910 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.814 9.688 4.631 1.00 0.00 C ATOM 1043 OH TYR A 74 9.069 11.027 4.817 1.00 0.00 O ATOM 0 H TYR A 74 10.225 3.886 5.176 1.00 0.00 H new ATOM 0 HA TYR A 74 7.746 5.087 6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.631 5.141 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.975 5.385 3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.527 7.344 5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.131 6.967 3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.982 9.734 5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.592 9.355 3.493 1.00 0.00 H new ATOM 0 HH TYR A 74 8.682 11.318 5.669 1.00 0.00 H new ATOM 1053 N TYR A 75 6.477 3.035 5.335 1.00 0.00 N ATOM 1054 CA TYR A 75 5.859 1.725 5.164 1.00 0.00 C ATOM 1055 C TYR A 75 4.499 1.849 4.484 1.00 0.00 C ATOM 1056 O TYR A 75 3.924 2.936 4.413 1.00 0.00 O ATOM 1057 CB TYR A 75 5.704 1.032 6.518 1.00 0.00 C ATOM 1058 CG TYR A 75 6.991 0.947 7.306 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.426 2.016 8.080 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.772 -0.201 7.277 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.602 1.943 8.803 1.00 0.00 C ATOM 1062 CE2 TYR A 75 8.949 -0.283 7.996 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.359 0.792 8.757 1.00 0.00 C ATOM 1064 OH TYR A 75 10.532 0.715 9.474 1.00 0.00 O ATOM 0 H TYR A 75 5.843 3.760 5.671 1.00 0.00 H new ATOM 0 HA TYR A 75 6.509 1.124 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.961 1.569 7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.318 0.025 6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.835 2.919 8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.454 -1.044 6.682 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.926 2.783 9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.544 -1.183 7.962 1.00 0.00 H new ATOM 0 HH TYR A 75 10.944 -0.163 9.334 1.00 0.00 H new ATOM 1074 N CYS A 76 3.989 0.727 3.988 1.00 0.00 N ATOM 1075 CA CYS A 76 2.696 0.708 3.313 1.00 0.00 C ATOM 1076 C CYS A 76 2.093 -0.692 3.335 1.00 0.00 C ATOM 1077 O CYS A 76 2.769 -1.676 3.031 1.00 0.00 O ATOM 1078 CB CYS A 76 2.843 1.190 1.869 1.00 0.00 C ATOM 1079 SG CYS A 76 3.624 -0.010 0.766 1.00 0.00 S ATOM 0 H CYS A 76 4.451 -0.181 4.041 1.00 0.00 H new ATOM 0 HA CYS A 76 2.026 1.382 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.856 1.438 1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.429 2.109 1.862 1.00 0.00 H new ATOM 0 HG CYS A 76 3.548 -1.196 1.292 1.00 0.00 H new ATOM 1085 N ARG A 77 0.816 -0.775 3.697 1.00 0.00 N ATOM 1086 CA ARG A 77 0.122 -2.056 3.761 1.00 0.00 C ATOM 1087 C ARG A 77 -1.235 -1.973 3.069 1.00 0.00 C ATOM 1088 O ARG A 77 -2.085 -1.164 3.441 1.00 0.00 O ATOM 1089 CB ARG A 77 -0.061 -2.488 5.217 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.651 -1.406 6.105 1.00 0.00 C ATOM 1091 CD ARG A 77 -1.042 -1.955 7.468 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.519 -0.905 8.365 1.00 0.00 N ATOM 1093 CZ ARG A 77 -1.648 -1.062 9.677 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -1.338 -2.221 10.243 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -2.088 -0.060 10.426 1.00 0.00 N ATOM 0 H ARG A 77 0.242 0.029 3.950 1.00 0.00 H new ATOM 0 HA ARG A 77 0.730 -2.798 3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.708 -3.364 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.905 -2.791 5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.074 -0.601 6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.527 -0.974 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.820 -2.708 7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.183 -2.454 7.918 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.767 -0.002 7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.000 -2.994 9.670 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.438 -2.339 11.251 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.328 0.832 9.994 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.187 -0.182 11.434 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.432 -2.816 2.060 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.686 -2.839 1.316 1.00 0.00 C ATOM 1111 C VAL A 78 -3.491 -4.094 1.635 1.00 0.00 C ATOM 1112 O VAL A 78 -2.929 -5.176 1.806 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.440 -2.772 -0.203 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.674 -3.999 -0.674 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.757 -2.636 -0.950 1.00 0.00 C ATOM 0 H VAL A 78 -0.739 -3.492 1.739 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.252 -1.960 1.623 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.835 -1.891 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.509 -3.934 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.713 -4.047 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.250 -4.896 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.564 -2.590 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.390 -3.496 -0.732 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.263 -1.724 -0.633 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.809 -3.942 1.713 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.690 -5.064 2.012 1.00 0.00 C ATOM 1127 C GLN A 79 -6.914 -5.052 1.101 1.00 0.00 C ATOM 1128 O GLN A 79 -7.282 -4.014 0.553 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.130 -5.020 3.476 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.163 -3.943 3.769 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.826 -4.123 5.120 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -7.387 -3.555 6.120 1.00 0.00 O ATOM 1133 NE2 GLN A 79 -8.891 -4.915 5.156 1.00 0.00 N ATOM 0 H GLN A 79 -5.290 -3.053 1.573 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.135 -5.985 1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.541 -5.991 3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.255 -4.853 4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.683 -2.965 3.731 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.925 -3.954 2.990 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.220 -5.366 4.302 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.380 -5.073 6.037 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.539 -6.215 0.942 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.721 -6.337 0.100 1.00 0.00 C ATOM 1144 C ALA A 80 -9.993 -6.395 0.940 1.00 0.00 C ATOM 1145 O ALA A 80 -10.147 -7.272 1.790 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.614 -7.572 -0.784 1.00 0.00 C ATOM 0 H ALA A 80 -7.245 -7.085 1.386 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.777 -5.452 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.504 -7.651 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.732 -7.490 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.529 -8.461 -0.159 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.899 -5.454 0.699 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.157 -5.398 1.436 1.00 0.00 C ATOM 1154 C LEU A 81 -13.301 -5.969 0.605 1.00 0.00 C ATOM 1155 O LEU A 81 -13.430 -5.668 -0.582 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.473 -3.954 1.834 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.666 -3.390 3.004 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.390 -2.730 2.503 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.504 -2.399 3.800 1.00 0.00 C ATOM 0 H LEU A 81 -10.786 -4.720 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.049 -6.003 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.312 -3.315 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.532 -3.890 2.085 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.390 -4.214 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.829 -2.334 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.782 -3.466 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.644 -1.916 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.914 -2.007 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.809 -1.578 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.389 -2.902 4.190 1.00 0.00 H new ATOM 1171 N SER A 82 -14.130 -6.794 1.236 1.00 0.00 N ATOM 1172 CA SER A 82 -15.263 -7.410 0.555 1.00 0.00 C ATOM 1173 C SER A 82 -16.579 -6.993 1.204 1.00 0.00 C ATOM 1174 O SER A 82 -16.601 -6.163 2.113 1.00 0.00 O ATOM 1175 CB SER A 82 -15.131 -8.934 0.576 1.00 0.00 C ATOM 1176 OG SER A 82 -14.852 -9.403 1.883 1.00 0.00 O ATOM 0 H SER A 82 -14.038 -7.052 2.219 1.00 0.00 H new ATOM 0 HA SER A 82 -15.264 -7.067 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.053 -9.387 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.335 -9.243 -0.102 1.00 0.00 H new ATOM 0 HG SER A 82 -14.617 -10.354 1.846 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.676 -7.575 0.729 1.00 0.00 N ATOM 1183 CA VAL A 83 -18.997 -7.266 1.262 1.00 0.00 C ATOM 1184 C VAL A 83 -19.355 -8.195 2.417 1.00 0.00 C ATOM 1185 O VAL A 83 -20.343 -7.979 3.118 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.082 -7.375 0.174 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -20.105 -6.120 -0.685 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.854 -8.612 -0.681 1.00 0.00 C ATOM 0 H VAL A 83 -17.675 -8.263 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.959 -6.239 1.624 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.053 -7.470 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.878 -6.215 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.319 -5.254 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.135 -5.990 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.629 -8.674 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.877 -8.548 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.892 -9.501 -0.052 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.545 -9.231 2.608 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.774 -10.194 3.679 1.00 0.00 C ATOM 1200 C VAL A 84 -17.872 -9.910 4.875 1.00 0.00 C ATOM 1201 O VAL A 84 -18.128 -10.380 5.983 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.532 -11.637 3.198 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.052 -11.980 3.264 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.354 -12.617 4.021 1.00 0.00 C ATOM 0 H VAL A 84 -17.724 -9.425 2.035 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.816 -10.090 3.981 1.00 0.00 H new ATOM 0 HB VAL A 84 -18.851 -11.715 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.900 -13.003 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.491 -11.296 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.702 -11.887 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.171 -13.632 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.068 -12.541 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.413 -12.382 3.916 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.815 -9.139 4.643 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.891 -8.806 5.711 1.00 0.00 C ATOM 1216 C GLY A 85 -14.647 -8.104 5.204 1.00 0.00 C ATOM 1217 O GLY A 85 -14.738 -7.108 4.485 1.00 0.00 O ATOM 0 H GLY A 85 -16.582 -8.739 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.394 -8.167 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.602 -9.717 6.235 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.482 -8.620 5.581 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.215 -8.037 5.158 1.00 0.00 C ATOM 1223 C ALA A 86 -11.075 -9.042 5.291 1.00 0.00 C ATOM 1224 O ALA A 86 -11.193 -10.036 6.006 1.00 0.00 O ATOM 1225 CB ALA A 86 -11.915 -6.784 5.970 1.00 0.00 C ATOM 0 H ALA A 86 -13.389 -9.441 6.179 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.302 -7.764 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.966 -6.358 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.711 -6.054 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.853 -7.042 7.027 1.00 0.00 H new ATOM 1231 N GLY A 87 -9.974 -8.775 4.596 1.00 0.00 N ATOM 1232 CA GLY A 87 -8.830 -9.666 4.650 1.00 0.00 C ATOM 1233 C GLY A 87 -7.670 -9.074 5.427 1.00 0.00 C ATOM 1234 O GLY A 87 -7.697 -7.914 5.838 1.00 0.00 O ATOM 0 H GLY A 87 -9.854 -7.958 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.128 -10.608 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.504 -9.896 3.636 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.621 -9.884 5.640 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.427 -9.455 6.375 1.00 0.00 C ATOM 1240 C PRO A 88 -4.604 -8.433 5.599 1.00 0.00 C ATOM 1241 O PRO A 88 -4.882 -8.155 4.432 1.00 0.00 O ATOM 1242 CB PRO A 88 -4.636 -10.754 6.554 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.079 -11.625 5.429 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.521 -11.279 5.180 1.00 0.00 C ATOM 0 HA PRO A 88 -5.681 -8.961 7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.562 -10.572 6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.846 -11.216 7.519 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.476 -11.449 4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -4.969 -12.679 5.685 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.781 -11.374 4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.193 -11.934 5.734 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.592 -7.875 6.254 1.00 0.00 N ATOM 1253 CA PHE A 89 -2.729 -6.883 5.625 1.00 0.00 C ATOM 1254 C PHE A 89 -1.464 -7.532 5.073 1.00 0.00 C ATOM 1255 O PHE A 89 -0.816 -8.331 5.752 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.358 -5.789 6.629 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.326 -4.642 6.652 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.431 -3.785 5.567 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.133 -4.421 7.756 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.322 -2.728 5.586 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.026 -3.365 7.780 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.121 -2.519 6.693 1.00 0.00 C ATOM 0 H PHE A 89 -3.349 -8.093 7.220 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.277 -6.436 4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.302 -6.226 7.626 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.364 -5.410 6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.810 -3.945 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.064 -5.081 8.608 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.393 -2.066 4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.648 -3.202 8.648 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.819 -1.695 6.708 1.00 0.00 H new ATOM 1272 N SER A 90 -1.117 -7.187 3.838 1.00 0.00 N ATOM 1273 CA SER A 90 0.066 -7.740 3.192 1.00 0.00 C ATOM 1274 C SER A 90 1.303 -7.541 4.063 1.00 0.00 C ATOM 1275 O SER A 90 1.228 -6.947 5.139 1.00 0.00 O ATOM 1276 CB SER A 90 0.282 -7.086 1.826 1.00 0.00 C ATOM 1277 OG SER A 90 0.821 -5.782 1.964 1.00 0.00 O ATOM 0 H SER A 90 -1.640 -6.526 3.264 1.00 0.00 H new ATOM 0 HA SER A 90 -0.094 -8.809 3.054 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.955 -7.700 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.665 -7.036 1.289 1.00 0.00 H new ATOM 0 HG SER A 90 0.523 -5.224 1.215 1.00 0.00 H new ATOM 1283 N GLU A 91 2.440 -8.043 3.591 1.00 0.00 N ATOM 1284 CA GLU A 91 3.692 -7.921 4.327 1.00 0.00 C ATOM 1285 C GLU A 91 4.205 -6.484 4.295 1.00 0.00 C ATOM 1286 O GLU A 91 4.576 -5.970 3.240 1.00 0.00 O ATOM 1287 CB GLU A 91 4.747 -8.864 3.743 1.00 0.00 C ATOM 1288 CG GLU A 91 4.412 -10.335 3.920 1.00 0.00 C ATOM 1289 CD GLU A 91 5.544 -11.248 3.487 1.00 0.00 C ATOM 1290 OE1 GLU A 91 5.586 -11.615 2.295 1.00 0.00 O ATOM 1291 OE2 GLU A 91 6.387 -11.592 4.341 1.00 0.00 O ATOM 0 H GLU A 91 2.519 -8.538 2.703 1.00 0.00 H new ATOM 0 HA GLU A 91 3.502 -8.197 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.864 -8.652 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.707 -8.659 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.176 -10.527 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.518 -10.572 3.343 1.00 0.00 H new ATOM 1298 N VAL A 92 4.223 -5.842 5.459 1.00 0.00 N ATOM 1299 CA VAL A 92 4.690 -4.465 5.566 1.00 0.00 C ATOM 1300 C VAL A 92 5.927 -4.236 4.703 1.00 0.00 C ATOM 1301 O VAL A 92 6.977 -4.838 4.932 1.00 0.00 O ATOM 1302 CB VAL A 92 5.020 -4.096 7.024 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.570 -2.680 7.106 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.788 -4.250 7.904 1.00 0.00 C ATOM 0 H VAL A 92 3.919 -6.254 6.341 1.00 0.00 H new ATOM 0 HA VAL A 92 3.880 -3.827 5.212 1.00 0.00 H new ATOM 0 HB VAL A 92 5.787 -4.779 7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.797 -2.437 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.479 -2.608 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.828 -1.979 6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.039 -3.985 8.931 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.998 -3.592 7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.443 -5.283 7.870 1.00 0.00 H new ATOM 1314 N VAL A 93 5.795 -3.363 3.710 1.00 0.00 N ATOM 1315 CA VAL A 93 6.902 -3.052 2.813 1.00 0.00 C ATOM 1316 C VAL A 93 7.613 -1.773 3.240 1.00 0.00 C ATOM 1317 O VAL A 93 7.091 -0.673 3.063 1.00 0.00 O ATOM 1318 CB VAL A 93 6.420 -2.898 1.359 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.597 -2.649 0.429 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.638 -4.128 0.924 1.00 0.00 C ATOM 0 H VAL A 93 4.932 -2.858 3.506 1.00 0.00 H new ATOM 0 HA VAL A 93 7.599 -3.888 2.870 1.00 0.00 H new ATOM 0 HB VAL A 93 5.756 -2.035 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.236 -2.543 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.111 -1.736 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.289 -3.490 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.305 -4.002 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.277 -5.009 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.771 -4.256 1.572 1.00 0.00 H new ATOM 1330 N ALA A 94 8.807 -1.925 3.802 1.00 0.00 N ATOM 1331 CA ALA A 94 9.592 -0.782 4.252 1.00 0.00 C ATOM 1332 C ALA A 94 10.316 -0.119 3.085 1.00 0.00 C ATOM 1333 O ALA A 94 10.698 -0.786 2.122 1.00 0.00 O ATOM 1334 CB ALA A 94 10.588 -1.212 5.318 1.00 0.00 C ATOM 0 H ALA A 94 9.253 -2.829 3.957 1.00 0.00 H new ATOM 0 HA ALA A 94 8.908 -0.051 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.167 -0.348 5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.052 -1.632 6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.260 -1.965 4.906 1.00 0.00 H new ATOM 1340 N CYS A 95 10.500 1.192 3.177 1.00 0.00 N ATOM 1341 CA CYS A 95 11.177 1.945 2.127 1.00 0.00 C ATOM 1342 C CYS A 95 11.658 3.295 2.649 1.00 0.00 C ATOM 1343 O CYS A 95 10.880 4.068 3.210 1.00 0.00 O ATOM 1344 CB CYS A 95 10.243 2.150 0.934 1.00 0.00 C ATOM 1345 SG CYS A 95 8.952 3.384 1.210 1.00 0.00 S ATOM 0 H CYS A 95 10.190 1.757 3.968 1.00 0.00 H new ATOM 0 HA CYS A 95 12.045 1.370 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.836 2.448 0.069 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.773 1.198 0.686 1.00 0.00 H new ATOM 0 HG CYS A 95 8.236 3.511 0.133 1.00 0.00 H new ATOM 1351 N VAL A 96 12.944 3.572 2.464 1.00 0.00 N ATOM 1352 CA VAL A 96 13.529 4.829 2.917 1.00 0.00 C ATOM 1353 C VAL A 96 13.969 5.687 1.736 1.00 0.00 C ATOM 1354 O VAL A 96 14.782 5.264 0.914 1.00 0.00 O ATOM 1355 CB VAL A 96 14.739 4.584 3.838 1.00 0.00 C ATOM 1356 CG1 VAL A 96 15.357 5.906 4.269 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.329 3.758 5.047 1.00 0.00 C ATOM 0 H VAL A 96 13.602 2.943 2.003 1.00 0.00 H new ATOM 0 HA VAL A 96 12.756 5.355 3.477 1.00 0.00 H new ATOM 0 HB VAL A 96 15.490 4.023 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.210 5.714 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.688 6.457 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.616 6.496 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.196 3.594 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.560 4.290 5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 96 13.937 2.797 4.715 1.00 0.00 H new ATOM 1367 N THR A 97 13.425 6.898 1.657 1.00 0.00 N ATOM 1368 CA THR A 97 13.760 7.817 0.577 1.00 0.00 C ATOM 1369 C THR A 97 15.228 8.224 0.636 1.00 0.00 C ATOM 1370 O THR A 97 15.840 8.273 1.703 1.00 0.00 O ATOM 1371 CB THR A 97 12.885 9.084 0.626 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.110 9.787 1.853 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.411 8.729 0.501 1.00 0.00 C ATOM 0 H THR A 97 12.750 7.265 2.329 1.00 0.00 H new ATOM 0 HA THR A 97 13.570 7.289 -0.357 1.00 0.00 H new ATOM 0 HB THR A 97 13.161 9.722 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.447 10.503 1.946 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.813 9.640 0.538 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.238 8.220 -0.447 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.124 8.073 1.322 1.00 0.00 H new ATOM 1381 N PRO A 98 15.807 8.524 -0.536 1.00 0.00 N ATOM 1382 CA PRO A 98 17.210 8.933 -0.643 1.00 0.00 C ATOM 1383 C PRO A 98 17.456 10.318 -0.055 1.00 0.00 C ATOM 1384 O PRO A 98 16.576 11.178 -0.041 1.00 0.00 O ATOM 1385 CB PRO A 98 17.463 8.941 -2.153 1.00 0.00 C ATOM 1386 CG PRO A 98 16.121 9.162 -2.760 1.00 0.00 C ATOM 1387 CD PRO A 98 15.137 8.487 -1.846 1.00 0.00 C ATOM 0 HA PRO A 98 17.872 8.267 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.160 9.731 -2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.898 7.999 -2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.904 10.226 -2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 98 16.073 8.741 -3.764 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.183 9.013 -1.824 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.930 7.465 -2.163 1.00 0.00 H new ATOM 1395 N PRO A 99 18.682 10.541 0.441 1.00 0.00 N ATOM 1396 CA PRO A 99 19.073 11.822 1.040 1.00 0.00 C ATOM 1397 C PRO A 99 19.183 12.935 0.004 1.00 0.00 C ATOM 1398 O PRO A 99 19.733 12.737 -1.079 1.00 0.00 O ATOM 1399 CB PRO A 99 20.443 11.524 1.652 1.00 0.00 C ATOM 1400 CG PRO A 99 20.976 10.385 0.853 1.00 0.00 C ATOM 1401 CD PRO A 99 19.782 9.562 0.458 1.00 0.00 C ATOM 0 HA PRO A 99 18.337 12.177 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.100 12.391 1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.357 11.262 2.706 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.512 10.742 -0.026 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.681 9.794 1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.920 9.096 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.594 8.759 1.171 1.00 0.00 H new ATOM 1409 N SER A 100 18.658 14.108 0.344 1.00 0.00 N ATOM 1410 CA SER A 100 18.694 15.254 -0.558 1.00 0.00 C ATOM 1411 C SER A 100 19.837 16.196 -0.193 1.00 0.00 C ATOM 1412 O SER A 100 19.636 17.194 0.499 1.00 0.00 O ATOM 1413 CB SER A 100 17.363 16.007 -0.514 1.00 0.00 C ATOM 1414 OG SER A 100 17.461 17.254 -1.179 1.00 0.00 O ATOM 0 H SER A 100 18.202 14.290 1.238 1.00 0.00 H new ATOM 0 HA SER A 100 18.860 14.884 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.584 15.403 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.066 16.166 0.522 1.00 0.00 H new ATOM 0 HG SER A 100 16.597 17.715 -1.138 1.00 0.00 H new